Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50211104'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50211104 ((1S,2S,5S,6S,9S,10R,15S)-5-methyl-16-oxapentacyclo...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-8-7-17-15(16(19)4-5-18(19)21)3-2-13-12-14-6-9-20(13,17)10-11-22-14/h2,14-18,21H,3-12H2,1H3/t14-,15-,16-,17-,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50211104 ((1S,2S,5S,6S,9S,10R,15S)-5-methyl-16-oxapentacyclo...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7| Show InChI InChI=1S/C20H30O2/c1-19-8-7-17-15(16(19)4-5-18(19)21)3-2-13-12-14-6-9-20(13,17)10-11-22-14/h2,14-18,21H,3-12H2,1H3/t14-,15-,16-,17-,18-,19-,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant ERalpha expressed in HEK293 cells by transactivation assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
					More data for this Ligand-Target Pair